1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine

C17H25N3O — CID 105186575

IUPAC1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCCn1ncc(OC)c1C(CCc1ccc(C)cc1)NC
InChIInChI=1S/C17H25N3O/c1-5-20-17(16(21-4)12-19-20)15(18-3)11-10-14-8-6-13(2)7-9-14/h6-9,12,15,18H,5,10-11H2,1-4H3
InChIKeyGOELRGKLNKRDLA-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.11
Rot. Bonds7

About 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine

1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine (PubChem CID 105186575) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine.

Molecular Properties

Compound Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
PubChem CID105186575
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine
SMILESCCn1ncc(OC)c1C(CCc1ccc(C)cc1)NC
InChIInChI=1S/C17H25N3O/c1-5-20-17(16(21-4)12-19-20)15(18-3)11-10-14-8-6-13(2)7-9-14/h6-9,12,15,18H,5,10-11H2,1-4H3
InChIKeyGOELRGKLNKRDLA-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-(furan-2-yl)-N-methylpropan-1-amine
CID 105186645
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 114647418
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 114648431
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-methylsulfanylethanamine
CID 114649759
1-(1-ethyl-4-methoxypyrazol-5-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 114648328
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-2-phenoxyethanamine
CID 114649623
2-(2-bromophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114650079
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-phenylpropan-1-ol
CID 114635552
1-(4-chloro-1-ethylpyrazol-5-yl)-N-ethyl-3-(4-methylphenyl)propan-1-amine
CID 105183226
2-(2,6-dichlorophenyl)-1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylethanamine
CID 114649074

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
The IUPAC name of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine (CID 105186575) is 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine.
What is the SMILES notation for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
The canonical SMILES for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine is CCn1ncc(OC)c1C(CCc1ccc(C)cc1)NC.
What is the InChIKey of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
The InChIKey is GOELRGKLNKRDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-20-17(16(21-4)12-19-20)15(18-3)11-10-14-8-6-13(2)7-9-14/h6-9,12,15,18H,5,10-11H2,1-4H3.
What are the key properties of 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine?
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyl-3-(4-methylphenyl)propan-1-amine is sourced from PubChem (CID 105186575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).